SCHEMBL17280322

SCHEMBL17280322

Cc1cc2c(O)c3c(c(O)c2cc1C)C(=O)OC3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUAK1 O60285 1/20 0.54
IGF1R P08069 1/20 0.54
MET P08581 1/20 0.54
PIM1 P11309 1/20 0.54
SRC P12931 1/20 0.54
AXL P30530 1/20 0.54
AKT1 P31749 1/20 0.54
KDR P35968 1/20 0.54
NEK2 P51955 1/20 0.54
PLK1 P53350 1/20 0.54
PTK2 Q05397 1/20 0.54
PKN1 Q16512 1/20 0.54
AURKB Q96GD4 1/20 0.54
NEK6 Q9HC98 1/20 0.54
ALK Q9UM73 1/20 0.54
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17280359 0.84 KDM4E (0.53) NUAK1IGF1RMETPIM1SRC
SCHEMBL15932525 0.83 KDM4E (0.65) NUAK1IGF1RMETPIM1SRC
SCHEMBL17280388 0.81 NUAK1 (0.43) NUAK1IGF1RMETPIM1SRC
SCHEMBL17280355 0.81 KDM4E (0.59) NUAK1IGF1RMETPIM1SRC
SCHEMBL17280370 0.80 MEN1 (0.53) NUAK1IGF1RMETPIM1SRC
SCHEMBL17280352 0.79 KDM4E (0.69) KDM4EMEN1ALDH1A1LMNAMAPT
SCHEMBL17280364 0.79 KDM4E (0.52) NUAK1IGF1RMETPIM1SRC
SCHEMBL17280377 0.79 KDM4E (0.49) NUAK1IGF1RMETPIM1SRC
SCHEMBL17280381 0.79 ALDH1A1 (0.49) NUAK1IGF1RMETPIM1SRC
SCHEMBL3682437 0.79 NUAK1 (0.58) NUAK1IGF1RMETPIM1SRC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650355-B2 Method for preparation of justicidin a derivatives of arylnaphthalene lignan structure KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2017-05-16 US disclosed
US-20150336938-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-11-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150336938-A1 METHOD FOR PREPARATION OF JUSTICIDIN A DERIVATIVES OF ARYLNAPHTHALENE LIGNAN STRUCTURE UGT1A8, NOTUM, MLN NUAK1 2314/4885IGF1R 3121/4885MET 3773/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.